ethyl 3-cyclobutyloxy-3-(3-methoxy-2-methylphenyl)iminopropanoate

C17H23NO4 — CID 58530232

IUPACethyl 3-cyclobutyloxy-3-(3-methoxy-2-methylphenyl)iminopropanoate
SMILESCCOC(=O)C/C(=N\c1cccc(OC)c1C)OC1CCC1
InChIInChI=1S/C17H23NO4/c1-4-21-17(19)11-16(22-13-7-5-8-13)18-14-9-6-10-15(20-3)12(14)2/h6,9-10,13H,4-5,7-8,11H2,1-3H3/b18-16+
InChIKeyWVHVDZDYTKFTSO-FBMGVBCBSA-N
MW305.37 g/mol
LogP3.56
Rot. Bonds6

About ethyl 3-cyclobutyloxy-3-(3-methoxy-2-methylphenyl)iminopropanoate

ethyl 3-cyclobutyloxy-3-(3-methoxy-2-methylphenyl)iminopropanoate (PubChem CID 58530232) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is ethyl 3-cyclobutyloxy-3-(3-methoxy-2-methylphenyl)iminopropanoate.

Molecular Properties

Compound Nameethyl 3-cyclobutyloxy-3-(3-methoxy-2-methylphenyl)iminopropanoate
PubChem CID58530232
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nameethyl 3-cyclobutyloxy-3-(3-methoxy-2-methylphenyl)iminopropanoate
SMILESCCOC(=O)C/C(=N\c1cccc(OC)c1C)OC1CCC1
InChIInChI=1S/C17H23NO4/c1-4-21-17(19)11-16(22-13-7-5-8-13)18-14-9-6-10-15(20-3)12(14)2/h6,9-10,13H,4-5,7-8,11H2,1-3H3/b18-16+
InChIKeyWVHVDZDYTKFTSO-FBMGVBCBSA-N
XLogP3.56
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclobutyloxy-3-(3-methoxy-2-methylphenyl)iminopropanoate?
The IUPAC name of ethyl 3-cyclobutyloxy-3-(3-methoxy-2-methylphenyl)iminopropanoate (CID 58530232) is ethyl 3-cyclobutyloxy-3-(3-methoxy-2-methylphenyl)iminopropanoate.
What is the SMILES notation for ethyl 3-cyclobutyloxy-3-(3-methoxy-2-methylphenyl)iminopropanoate?
The canonical SMILES for ethyl 3-cyclobutyloxy-3-(3-methoxy-2-methylphenyl)iminopropanoate is CCOC(=O)C/C(=N\c1cccc(OC)c1C)OC1CCC1.
What is the InChIKey of ethyl 3-cyclobutyloxy-3-(3-methoxy-2-methylphenyl)iminopropanoate?
The InChIKey is WVHVDZDYTKFTSO-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H23NO4/c1-4-21-17(19)11-16(22-13-7-5-8-13)18-14-9-6-10-15(20-3)12(14)2/h6,9-10,13H,4-5,7-8,11H2,1-3H3/b18-16+.
What are the key properties of ethyl 3-cyclobutyloxy-3-(3-methoxy-2-methylphenyl)iminopropanoate?
ethyl 3-cyclobutyloxy-3-(3-methoxy-2-methylphenyl)iminopropanoate has a molecular weight of 305.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclobutyloxy-3-(3-methoxy-2-methylphenyl)iminopropanoate is sourced from PubChem (CID 58530232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).